N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline

C21H21N — CID 59889814

IUPACN-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
SMILESC=C/C=C/C(=C/C=C/C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N/c1-3-5-13-19(14-6-4-2)22(20-15-9-7-10-16-20)21-17-11-8-12-18-21/h3-18H,1H2,2H3/b6-4+,13-5+,19-14-
InChIKeyBGKSSKDEZPFOBM-YTZSHANFSA-N
MW287.41 g/mol
LogP6.03
Rot. Bonds6

About N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline

N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline (PubChem CID 59889814) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
PubChem CID59889814
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
SMILESC=C/C=C/C(=C/C=C/C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N/c1-3-5-13-19(14-6-4-2)22(20-15-9-7-10-16-20)21-17-11-8-12-18-21/h3-18H,1H2,2H3/b6-4+,13-5+,19-14-
InChIKeyBGKSSKDEZPFOBM-YTZSHANFSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline?
The IUPAC name of N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline (CID 59889814) is N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline.
What is the SMILES notation for N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline?
The canonical SMILES for N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline is C=C/C=C/C(=C/C=C/C)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline?
The InChIKey is BGKSSKDEZPFOBM-YTZSHANFSA-N. The full InChI is InChI=1S/C21H21N/c1-3-5-13-19(14-6-4-2)22(20-15-9-7-10-16-20)21-17-11-8-12-18-21/h3-18H,1H2,2H3/b6-4+,13-5+,19-14-.
What are the key properties of N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline?
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline has a molecular weight of 287.41 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline is sourced from PubChem (CID 59889814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).